diff --git a/modules/mol/base/src/chain_handle.cc b/modules/mol/base/src/chain_handle.cc
index b50917c1084aeabc898542f953176d64f26f33b0..842017ae4ba00bee32ec4238239f211a39786f90 100644
--- a/modules/mol/base/src/chain_handle.cc
+++ b/modules/mol/base/src/chain_handle.cc
@@ -125,23 +125,26 @@ bool ChainHandle::operator!=(const ChainHandle& ref) const
ResidueHandleIter ChainHandle::ResiduesBegin() const {
this->CheckValidity();
impl::ChainImplPtr c=Impl();
- impl::ChainImplList::iterator cc=c->GetEntity()->GetChain(this->GetName());
- return ResidueHandleIter(cc, c->GetResidueList().begin(),
+ return ResidueHandleIter(c->GetEntity()->GetChainIter(this->GetName()),
+ impl::begin(c->GetResidueList()),
c->GetEntity(), true);
}
ResidueHandleIter ChainHandle::ResiduesEnd() const {
this->CheckValidity();
impl::ChainImplPtr c=Impl();
- impl::ChainImplList::iterator cc=c->GetEntity()->GetChain(this->GetName());
- impl::ChainImplList::iterator nc=cc; ++nc;
- if (nc!=c->GetEntity()->GetChainList().end()) {
+ impl::pointer_it<impl::ChainImplPtr> cc=c->GetEntity()->GetChainIter(this->GetName());
+ /*impl::pointer_it<impl::ChainImplPtr> nc=cc; ++nc;
+
+ if (nc!=impl::end(c->GetEntity()->GetChainList())) {
return ResidueHandleIter(nc, (*nc)->GetResidueList().begin(),
c->GetEntity(), true);
} else {
return ResidueHandleIter(cc, c->GetResidueList().end(),
c->GetEntity(), true);
- }
+ }*/
+ return ResidueHandleIter(cc, impl::end(c->GetResidueList()),
+ c->GetEntity(), true);
}
AtomHandleIter ChainHandle::AtomsBegin() const
@@ -152,9 +155,9 @@ AtomHandleIter ChainHandle::AtomsBegin() const
return AtomHandleIter();
}
- impl::ChainImplList::iterator cc=c->GetEntity()->GetChain(this->GetName());
- return AtomHandleIter(cc, c->GetResidueList().begin(),
- c->GetResidueList().front()->GetAtomList().begin(),
+ impl::pointer_it<impl::ChainImplPtr> cc=c->GetEntity()->GetChainIter(this->GetName());
+ return AtomHandleIter(cc, impl::begin(c->GetResidueList()),
+ impl::begin(c->GetResidueList().front()->GetAtomList()),
c->GetEntity(), true);
}
@@ -165,15 +168,16 @@ AtomHandleIter ChainHandle::AtomsEnd() const {
if (c->GetResidueList().empty()) {
return AtomHandleIter();
}
- impl::ChainImplList::iterator cc=c->GetEntity()->GetChain(this->GetName());
- impl::ChainImplList::iterator nc=cc; ++nc;
+ impl::pointer_it<impl::ChainImplPtr> cc=c->GetEntity()->GetChainIter(this->GetName());
+ impl::pointer_it<impl::ChainImplPtr> nc=cc; ++nc;
impl::ResidueImplList& rc=(*nc)->GetResidueList();
- if (nc!=c->GetEntity()->GetChainList().end()) {
- return AtomHandleIter(nc, rc.begin(), rc.front()->GetAtomList().begin(),
+ if (nc!=impl::end(c->GetEntity()->GetChainList())) {
+ return AtomHandleIter(nc, impl::begin(rc),
+ impl::begin(rc.front()->GetAtomList()),
c->GetEntity(), false);
} else {
- return AtomHandleIter(cc, c->GetResidueList().end(),
- c->GetResidueList().back()->GetAtomList().end(),
+ return AtomHandleIter(cc, impl::end(c->GetResidueList()),
+ impl::end(c->GetResidueList().back()->GetAtomList()),
c->GetEntity(), false);
}
}
diff --git a/modules/mol/base/src/entity_handle.cc b/modules/mol/base/src/entity_handle.cc
index 600c479ce9e6df2d578c1aa933e7756b3d6dbc8c..b7fad67139096c0e07aa5323cb0fcf1929870b72 100644
--- a/modules/mol/base/src/entity_handle.cc
+++ b/modules/mol/base/src/entity_handle.cc
@@ -262,8 +262,8 @@ ResidueHandleIter EntityHandle::ResiduesBegin() const {
}
impl::EntityImplPtr i=Impl();
impl::ChainImplPtr chain=i->GetChainList().front();
- return ResidueHandleIter(i->GetChainList().begin(),
- chain->GetResidueList().begin(), i, true);
+ return ResidueHandleIter(impl::begin(i->GetChainList()),
+ impl::begin(chain->GetResidueList()), i, true);
}
ResidueHandleIter EntityHandle::ResiduesEnd() const {
@@ -273,8 +273,8 @@ ResidueHandleIter EntityHandle::ResiduesEnd() const {
}
impl::EntityImplPtr i=Impl();
impl::ChainImplPtr chain=i->GetChainList().back();
- return ResidueHandleIter(i->GetChainList().end(),
- chain->GetResidueList().end(), i, false);
+ return ResidueHandleIter(impl::end(i->GetChainList()),
+ impl::end(chain->GetResidueList()), i, false);
}
ChainHandleIter EntityHandle::ChainsBegin() const {
@@ -298,8 +298,8 @@ AtomHandleIter EntityHandle::AtomsBegin() const {
if (r.empty()) {
return AtomHandleIter();
}
- return AtomHandleIter(ent->GetChainList().begin(), r.begin(),
- r.front()->GetAtomList().begin(), ent, true);
+ return AtomHandleIter(impl::begin(ent->GetChainList()), impl::begin(r),
+ impl::begin(r.front()->GetAtomList()), ent, true);
}
AtomHandleIter EntityHandle::AtomsEnd() const
@@ -313,8 +313,8 @@ AtomHandleIter EntityHandle::AtomsEnd() const
if (r.empty()) {
return AtomHandleIter();
}
- return AtomHandleIter(ent->GetChainList().end(), r.end(),
- r.back()->GetAtomList().end(), ent, false);
+ return AtomHandleIter(impl::end(ent->GetChainList()), impl::end(r),
+ impl::end(r.back()->GetAtomList()), ent, false);
}
XCSEditor EntityHandle::RequestXCSEditor(EditMode mode) const
diff --git a/modules/mol/base/src/entity_view.cc b/modules/mol/base/src/entity_view.cc
index 639c1e2bd24d3040072af87e50175e3bf64007eb..b6c5deabc1defba0b2c8cf3976b449fd53d0ff4c 100644
--- a/modules/mol/base/src/entity_view.cc
+++ b/modules/mol/base/src/entity_view.cc
@@ -472,8 +472,9 @@ AtomViewIter EntityView::AtomsBegin() const
if (rvl.empty()) {
return AtomViewIter();
}
- return AtomViewIter(data_->chains.begin(), rvl.begin(),
- rvl.front().GetAtomList().begin(), *this, true);
+ return AtomViewIter(impl::begin(data_->chains), impl::begin(rvl),
+ impl::begin(rvl.front().GetAtomList()),
+ *this, true);
}
AtomViewIter EntityView::AtomsEnd() const {
@@ -485,8 +486,8 @@ AtomViewIter EntityView::AtomsEnd() const {
if (rvl.empty()) {
return AtomViewIter();
}
- return AtomViewIter(data_->chains.end(), rvl.end(),
- rvl.back().GetAtomList().end(), *this, false);
+ return AtomViewIter(impl::end(data_->chains), impl::end(rvl),
+ impl::end(rvl.back().GetAtomList()), *this, false);
}
ResidueViewIter EntityView::ResiduesBegin() const
@@ -496,7 +497,8 @@ ResidueViewIter EntityView::ResiduesBegin() const
return ResidueViewIter();
}
const ResidueViewList& rvl=data_->chains.front().GetResidueList();
- return ResidueViewIter(data_->chains.begin(), rvl.begin(), *this, true);
+ return ResidueViewIter(impl::begin(data_->chains),
+ impl::begin(rvl), *this, true);
}
ResidueViewIter EntityView::ResiduesEnd() const
@@ -506,7 +508,8 @@ ResidueViewIter EntityView::ResiduesEnd() const
return ResidueViewIter();
}
const ResidueViewList& rvl=data_->chains.back().GetResidueList();
- return ResidueViewIter(data_->chains.end(), rvl.end(), *this, false);
+ return ResidueViewIter(impl::end(data_->chains),
+ impl::end(rvl), *this, false);
}
diff --git a/modules/mol/base/src/impl/CMakeLists.txt b/modules/mol/base/src/impl/CMakeLists.txt
index 3de4864e7a11e9dd29904fd60f997bab8cec2e51..41ddeb0b5672a5081a97b63ec1a6a5c3cdc497d5 100644
--- a/modules/mol/base/src/impl/CMakeLists.txt
+++ b/modules/mol/base/src/impl/CMakeLists.txt
@@ -14,6 +14,7 @@ PARENT_SCOPE
)
set(OST_MOL_IMPL_HEADERS
+pointer_iterator.hh
atom_group.hh
atom_impl.hh
atom_impl_fw.hh
diff --git a/modules/mol/base/src/impl/entity_impl.cc b/modules/mol/base/src/impl/entity_impl.cc
index c7eb101630db5e9723d848b50fa4abec29d3f2f7..e717342227cc929559b261a672fed9ea26b181f4 100644
--- a/modules/mol/base/src/impl/entity_impl.cc
+++ b/modules/mol/base/src/impl/entity_impl.cc
@@ -1191,6 +1191,18 @@ impl::ChainImplList::iterator EntityImpl::GetChain(const String& name)
}
return cc.end();
}
+
+pointer_it<ChainImplPtr> EntityImpl::GetChainIter(const String& name)
+{
+ impl::ChainImplList& cc=this->GetChainList();
+ for (size_t i=0; i<cc.size(); ++i) {
+ if (cc[i]->GetName()==name) {
+ return &cc.front()+i;
+ }
+ }
+ return pointer_it<ChainImplPtr>(NULL);
+}
+
void EntityImpl::RenameChain(ChainImplPtr chain, const String& new_name)
{
ChainImplList::iterator i;
diff --git a/modules/mol/base/src/impl/entity_impl.hh b/modules/mol/base/src/impl/entity_impl.hh
index 81f533bf0a9f3c696276b7e5e487e14a7125bfaa..ca83cf254b3b0c6c8315260a719261105c488a1f 100644
--- a/modules/mol/base/src/impl/entity_impl.hh
+++ b/modules/mol/base/src/impl/entity_impl.hh
@@ -39,7 +39,7 @@
#include <ost/mol/impl/connector_impl_fw.hh>
#include <ost/mol/impl/torsion_impl_fw.hh>
#include <ost/mol/impl/fragment_impl_fw.hh>
-
+#include <ost/mol/impl/pointer_iterator.hh>
#include <ost/mol/entity_visitor_fw.hh>
#include <ost/mol/entity_observer_fw.hh>
#include <ost/mol/entity_view.hh>
@@ -242,6 +242,7 @@ public:
impl::ChainImplList::iterator GetChain(const String& name);
+ pointer_it<ChainImplPtr> GetChainIter(const String& name);
void SetName(const String& ent_name);
private:
diff --git a/modules/mol/base/src/impl/pointer_iterator.hh b/modules/mol/base/src/impl/pointer_iterator.hh
new file mode 100644
index 0000000000000000000000000000000000000000..63a5676ca6f22381e5edcf9f2325d2a778718c06
--- /dev/null
+++ b/modules/mol/base/src/impl/pointer_iterator.hh
@@ -0,0 +1,79 @@
+//------------------------------------------------------------------------------
+// This file is part of the OpenStructure project <www.openstructure.org>
+//
+// Copyright (C) 2008-2010 by the OpenStructure authors
+//
+// This library is free software; you can redistribute it and/or modify it under
+// the terms of the GNU Lesser General Public License as published by the Free
+// Software Foundation; either version 3.0 of the License, or (at your option)
+// any later version.
+// This library is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
+// details.
+//
+// You should have received a copy of the GNU Lesser General Public License
+// along with this library; if not, write to the Free Software Foundation, Inc.,
+// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
+//------------------------------------------------------------------------------
+#ifndef OST_MOL_IMPL_POINTER_ITERATOR_HH
+#define OST_MOL_IMPL_POINTER_ITERATOR_HH
+
+#include <vector>
+
+namespace ost { namespace mol { namespace impl {
+
+template <typename T>
+class pointer_it : public std::iterator<std::forward_iterator_tag, T>{
+public:
+ pointer_it(T* s): s_(s) { }
+
+ pointer_it<T>& operator++()
+ {
+ ++s_;
+ return *this;
+ }
+ pointer_it<T>& operator+(int rhs)
+ {
+ s_+=rhs;
+ return *this;
+ }
+
+ bool operator==(const pointer_it<T>& rhs) const
+ {
+ return rhs.s_==s_;
+ }
+
+ bool operator!=(const pointer_it<T>&rhs) const
+ {
+ return !(*this==rhs);
+ }
+
+ T& operator*()
+ {
+ return *s_;
+ }
+
+ T* operator->()
+ {
+ return s_;
+ }
+private:
+ T* s_;
+};
+
+template <typename T>
+inline pointer_it<T> begin(const std::vector<T>& values)
+{
+ return pointer_it<T>(values.empty() ? NULL : const_cast<T*>(&values.front()));
+}
+
+template <typename T>
+inline pointer_it<T> end(const std::vector<T>& values)
+{
+ return pointer_it<T>(values.empty() ? NULL : const_cast<T*>(&values.back()+1));
+}
+
+}}}
+
+#endif
diff --git a/modules/mol/base/src/iterator.cc b/modules/mol/base/src/iterator.cc
index c5df5394482a7853ec207b67b94e31088c38baa2..05fc8f59e981cd6f7867e60bbbd76b44374dbdc6 100644
--- a/modules/mol/base/src/iterator.cc
+++ b/modules/mol/base/src/iterator.cc
@@ -27,18 +27,19 @@ namespace ost { namespace mol {
void ResidueHandleIter::SkipEmpty()
{
- if (cur_res_==(*cur_chain_)->GetResidueList().end()) {
+ if (cur_res_==impl::end((*cur_chain_)->GetResidueList())) {
// we have to skip over empty chains otherwise we end up pointing to an
// invalid residue.
do {
++cur_chain_;
- if (ent_->GetChainList().end()==cur_chain_) {
+ if (impl::end(ent_->GetChainList())==cur_chain_) {
break;
}
- cur_res_=(*cur_chain_)->GetResidueList().begin();
+ cur_res_=impl::begin((*cur_chain_)->GetResidueList());
} while ((*cur_chain_)->GetResidueList().empty());
}
}
+
ResidueHandleIter& ResidueHandleIter::operator++()
{
++cur_res_;
@@ -46,8 +47,8 @@ ResidueHandleIter& ResidueHandleIter::operator++()
return *this;
}
-ResidueHandleIter::ResidueHandleIter(impl::ChainImplList::iterator chain_it,
- impl::ResidueImplList::iterator res_it,
+ResidueHandleIter::ResidueHandleIter(impl::pointer_it<impl::ChainImplPtr> chain_it,
+ impl::pointer_it<impl::ResidueImplPtr> res_it,
impl::EntityImplPtr ent, bool skip_empty)
: cur_chain_(chain_it), cur_res_(res_it),
ent_(ent) {
@@ -68,15 +69,15 @@ ResidueView ResidueViewIter::operator*() {
void ResidueViewIter::SkipEmpty()
{
- if (cur_res_==cur_chain_->GetResidueList().end()) {
+ if (cur_res_==impl::end(cur_chain_->GetResidueList())) {
// we have to skip over empty chains otherwise we end up pointing to an
// invalid residue.
do {
++cur_chain_;
- if (ent_.GetChainList().end()==cur_chain_) {
+ if (impl::end(ent_.GetChainList())==cur_chain_) {
break;
}
- cur_res_=cur_chain_->GetResidueList().begin();
+ cur_res_=impl::begin(cur_chain_->GetResidueList());
} while (cur_chain_->GetResidueList().empty());
}
}
@@ -86,16 +87,8 @@ ResidueViewIter& ResidueViewIter::operator++() {
return *this;
}
-ResidueViewIter::ResidueViewIter()
-#ifdef _MSC_VER
- : cur_res_()
-#else
- : cur_res_(NULL)
-#endif
-{}
-
-ResidueViewIter::ResidueViewIter(ChainViewList::const_iterator chain_it,
- ResidueViewList::const_iterator res_it,
+ResidueViewIter::ResidueViewIter(impl::pointer_it<ChainView> chain_it,
+ impl::pointer_it<ResidueView> res_it,
EntityView ent, bool skip_empty)
: cur_chain_(chain_it), cur_res_(res_it),
ent_(ent) {
@@ -104,17 +97,9 @@ ResidueViewIter::ResidueViewIter(ChainViewList::const_iterator chain_it,
}
}
-AtomHandleIter::AtomHandleIter()
-#ifdef _MSC_VER
- : cur_atom_()
-#else
- : cur_atom_(NULL)
-#endif
-{}
-
-AtomHandleIter::AtomHandleIter(impl::ChainImplList::iterator chain_it,
- impl::ResidueImplList::iterator res_it,
- impl::AtomImplList::iterator atom_it,
+AtomHandleIter::AtomHandleIter(impl::pointer_it<impl::ChainImplPtr> chain_it,
+ impl::pointer_it<impl::ResidueImplPtr> res_it,
+ impl::pointer_it<impl::AtomImplPtr> atom_it,
impl::EntityImplPtr ent, bool skip_empty)
: cur_chain_(chain_it), cur_res_(res_it), cur_atom_(atom_it),
ent_(ent)
@@ -130,26 +115,26 @@ AtomHandle AtomHandleIter::operator*() {
void AtomHandleIter::SkipEmpty()
{
- if ((*cur_res_)->GetAtomList().end()==cur_atom_) {
+ if (impl::end((*cur_res_)->GetAtomList())==cur_atom_) {
// we have to skip over empty chains and residues otherwise we end up
// pointing to an invalid atom.
do {
++cur_res_;
- if ((*cur_chain_)->GetResidueList().end()==cur_res_) {
+ if (impl::end((*cur_chain_)->GetResidueList())==cur_res_) {
do {
++cur_chain_;
- if (ent_->GetChainList().end()==cur_chain_) {
+ if (impl::end(ent_->GetChainList())==cur_chain_) {
return;
}
- cur_res_=(*cur_chain_)->GetResidueList().begin();
+ cur_res_=impl::begin((*cur_chain_)->GetResidueList());
if (!(*cur_chain_)->GetResidueList().empty())
- cur_atom_=(*cur_res_)->GetAtomList().begin();
+ cur_atom_=impl::begin((*cur_res_)->GetAtomList());
else
- cur_atom_=impl::AtomImplList::iterator();
+ cur_atom_=impl::pointer_it<impl::AtomImplPtr>(NULL);
} while ((*cur_chain_)->GetResidueList().empty());
} else {
- cur_atom_=(*cur_res_)->GetAtomList().begin();
+ cur_atom_=impl::begin((*cur_res_)->GetAtomList());
}
} while ((*cur_res_)->GetAtomList().empty());
}
@@ -162,17 +147,9 @@ AtomHandleIter& AtomHandleIter::operator++()
return *this;
}
-AtomViewIter::AtomViewIter()
-#ifdef _MSC_VER
- : cur_atom_()
-#else
- : cur_atom_(NULL)
-#endif
-{}
-
-AtomViewIter::AtomViewIter(ChainViewList::const_iterator chain_it,
- ResidueViewList::const_iterator res_it,
- AtomViewList::const_iterator atom_it,
+AtomViewIter::AtomViewIter(impl::pointer_it<ChainView> chain_it,
+ impl::pointer_it<ResidueView> res_it,
+ impl::pointer_it<AtomView> atom_it,
EntityView ent, bool skip_empty)
: cur_chain_(chain_it), cur_res_(res_it), cur_atom_(atom_it),
ent_(ent) {
@@ -183,23 +160,24 @@ AtomViewIter::AtomViewIter(ChainViewList::const_iterator chain_it,
void AtomViewIter::SkipEmpty()
{
- if (cur_res_->GetAtomList().end()==cur_atom_) {
+ if (impl::end(cur_res_->GetAtomList())==cur_atom_) {
do {
++cur_res_;
- if (cur_chain_->GetResidueList().end()==cur_res_) {
+ if (impl::end(cur_chain_->GetResidueList())==cur_res_) {
do {
++cur_chain_;
- if (ent_.GetChainList().end()==cur_chain_) {
+ if (impl::end(ent_.GetChainList())==cur_chain_) {
return;
}
- cur_res_=cur_chain_->GetResidueList().begin();
- if (!cur_chain_->GetResidueList().empty())
- cur_atom_=cur_res_->GetAtomList().begin();
- else
- cur_atom_=AtomViewList::const_iterator();
+ cur_res_=impl::begin(cur_chain_->GetResidueList());
+ if (!cur_chain_->GetResidueList().empty()) {
+ cur_atom_=impl::begin(cur_res_->GetAtomList());
+ } else {
+ cur_atom_=impl::pointer_it<AtomView>(NULL);
+ }
} while (cur_chain_->GetResidueList().empty());
} else {
- cur_atom_=cur_res_->GetAtomList().begin();
+ cur_atom_=impl::begin(cur_res_->GetAtomList());
}
} while (cur_res_->GetAtomList().empty());
}
diff --git a/modules/mol/base/src/iterator.hh b/modules/mol/base/src/iterator.hh
index 04b4387f9b445171555b516bc6eb50f8220cb7f1..d127985538c923ff3cfac08e80485989f84da085 100644
--- a/modules/mol/base/src/iterator.hh
+++ b/modules/mol/base/src/iterator.hh
@@ -21,9 +21,7 @@
#include <map>
-#include <ost/mol/impl/entity_impl_fw.hh>
-#include <ost/mol/impl/chain_impl_fw.hh>
-#include <ost/mol/impl/residue_impl_fw.hh>
+
#include <ost/mol/chain_handle.hh>
#include <ost/mol/chain_view.hh>
#include <ost/mol/residue_handle.hh>
@@ -32,6 +30,10 @@
#include <ost/mol/atom_view.hh>
#include <ost/mol/entity_handle.hh>
#include <ost/mol/entity_view.hh>
+#include <ost/mol/impl/entity_impl_fw.hh>
+#include <ost/mol/impl/chain_impl_fw.hh>
+#include <ost/mol/impl/residue_impl_fw.hh>
+#include <ost/mol/impl/pointer_iterator.hh>
namespace ost { namespace mol {
@@ -78,10 +80,12 @@ private:
I cur_;
};
+
namespace impl {
- // forward declearation of chain impl map.
+ // forward declearation of chain impl list.
typedef std::vector<ChainImplPtr> ChainImplList;
}
+
class DLLEXPORT_OST_MOL ChainHandleIter : public std::iterator<std::forward_iterator_tag,
ChainHandle> {
public: // internally used constructors
@@ -112,20 +116,20 @@ private:
class DLLEXPORT_OST_MOL ResidueHandleIter : public std::iterator<std::forward_iterator_tag,
ResidueHandle> {
public:
- ResidueHandleIter() {
- }
- ResidueHandleIter(impl::ChainImplList::iterator chain_it,
- impl::ResidueImplList::iterator res_it,
+ ResidueHandleIter(): cur_chain_(NULL), cur_res_(NULL) { }
+ ResidueHandleIter(impl::pointer_it<impl::ChainImplPtr> chain_it,
+ impl::pointer_it<impl::ResidueImplPtr> res_it,
impl::EntityImplPtr ent, bool skip_empty);
- bool operator==(const ResidueHandleIter& rhs) const {
-#if defined(_MSC_VER)
- return cur_chain_==rhs.cur_chain_ && cur_res_==rhs.cur_res_;
-#else
+
+ bool operator==(const ResidueHandleIter& rhs) const
+ {
return cur_res_==rhs.cur_res_;
-#endif
}
+
void SkipEmpty();
- bool operator!=(const ResidueHandleIter& rhs) const {
+
+ bool operator!=(const ResidueHandleIter& rhs) const
+ {
return !this->operator==(rhs);
}
ResidueHandleIter& operator++();
@@ -133,28 +137,25 @@ public:
ResidueHandle operator*();
private:
- impl::ChainImplList::iterator cur_chain_;
- impl::ResidueImplList::iterator cur_res_;
+ impl::pointer_it<impl::ChainImplPtr> cur_chain_;
+ impl::pointer_it<impl::ResidueImplPtr> cur_res_;
impl::EntityImplPtr ent_;
};
class DLLEXPORT_OST_MOL ResidueViewIter : public std::iterator<std::forward_iterator_tag,
ResidueView> {
public:
- ResidueViewIter();
+ ResidueViewIter(): cur_chain_(NULL), cur_res_(NULL) { }
- ResidueViewIter(ChainViewList::const_iterator chain_it,
- ResidueViewList::const_iterator res_it,
+ ResidueViewIter(impl::pointer_it<ChainView> chain_it,
+ impl::pointer_it<ResidueView> res_it,
EntityView ent, bool skip_empty);
bool operator==(const ResidueViewIter& rhs) const {
-#if defined(_MSC_VER)
- return cur_chain_==rhs.cur_chain_ && cur_res_==rhs.cur_res_;
-#else
return cur_res_==rhs.cur_res_;
-#endif
}
void SkipEmpty();
+
bool operator!=(const ResidueViewIter& rhs) const {
return !this->operator==(rhs);
}
@@ -163,72 +164,70 @@ public:
ResidueView operator*();
private:
- ChainViewList::const_iterator cur_chain_;
- ResidueViewList::const_iterator cur_res_;
- EntityView ent_;
+ impl::pointer_it<ChainView> cur_chain_;
+ impl::pointer_it<ResidueView> cur_res_;
+ EntityView ent_;
};
class DLLEXPORT_OST_MOL AtomHandleIter : public std::iterator<std::forward_iterator_tag,
AtomHandle> {
public:
- AtomHandleIter();
+ AtomHandleIter(): cur_chain_(NULL), cur_res_(NULL), cur_atom_(NULL) { }
- AtomHandleIter(impl::ChainImplList::iterator chain_it,
- impl::ResidueImplList::iterator res_it,
- impl::AtomImplList::iterator atom_it,
+ AtomHandleIter(impl::pointer_it<impl::ChainImplPtr> chain_it,
+ impl::pointer_it<impl::ResidueImplPtr> res_it,
+ impl::pointer_it<impl::AtomImplPtr> atom_it,
impl::EntityImplPtr ent, bool skip_empty);
- bool operator==(const AtomHandleIter& rhs) const {
-#if defined(_MSC_VER)
- return cur_chain_==rhs.cur_chain_ && cur_res_==rhs.cur_res_ &&
- cur_atom_==rhs.cur_atom_;
-#else
+ bool operator==(const AtomHandleIter& rhs) const
+ {
return cur_atom_==rhs.cur_atom_;
-#endif
}
- bool operator!=(const AtomHandleIter& rhs) const {
- return !this->operator==(rhs);
+
+ bool operator!=(const AtomHandleIter& rhs) const
+ {
+ return !this->operator==(rhs);
}
+
AtomHandleIter& operator++();
AtomHandle operator*();
private:
void SkipEmpty();
- impl::ChainImplList::iterator cur_chain_;
- impl::ResidueImplList::iterator cur_res_;
- impl::AtomImplList::iterator cur_atom_;
+ impl::pointer_it<impl::ChainImplPtr> cur_chain_;
+ impl::pointer_it<impl::ResidueImplPtr> cur_res_;
+ impl::pointer_it<impl::AtomImplPtr> cur_atom_;
impl::EntityImplPtr ent_;
};
class DLLEXPORT_OST_MOL AtomViewIter : public std::iterator<std::forward_iterator_tag,
AtomView> {
public:
- AtomViewIter();
+ AtomViewIter(): cur_chain_(NULL), cur_res_(NULL), cur_atom_(NULL) { }
- AtomViewIter(ChainViewList::const_iterator chain_it,
- ResidueViewList::const_iterator res_it,
- AtomViewList::const_iterator atom_it,
+ AtomViewIter(impl::pointer_it<ChainView> chain_it,
+ impl::pointer_it<ResidueView> res_it,
+ impl::pointer_it<AtomView> atom_it,
EntityView ent, bool skip_empty);
- bool operator==(const AtomViewIter& rhs) const {
-#if defined(_MSC_VER)
- return cur_chain_==rhs.cur_chain_ && cur_res_==rhs.cur_res_ &&
- cur_atom_==rhs.cur_atom_;
-#else
+ bool operator==(const AtomViewIter& rhs) const
+ {
return cur_atom_==rhs.cur_atom_;
-#endif
}
- bool operator!=(const AtomViewIter& rhs) const {
+
+ bool operator!=(const AtomViewIter& rhs) const
+ {
return !this->operator==(rhs);
}
+
AtomViewIter& operator++();
AtomView operator*();
private:
void SkipEmpty();
- ChainViewList::const_iterator cur_chain_;
- ResidueViewList::const_iterator cur_res_;
- AtomViewList::const_iterator cur_atom_;
+ impl::pointer_it<ChainView> cur_chain_;
+ impl::pointer_it<ResidueView> cur_res_;
+ impl::pointer_it<AtomView> cur_atom_;
EntityView ent_;
};
diff --git a/modules/mol/base/src/residue_handle.cc b/modules/mol/base/src/residue_handle.cc
index bfc57c1949c209f753e0592730669f82f179c020..1719708c9a0e52b9a6892bfc9b8b3560150547d0 100644
--- a/modules/mol/base/src/residue_handle.cc
+++ b/modules/mol/base/src/residue_handle.cc
@@ -181,9 +181,9 @@ AtomHandleIter ResidueHandle::AtomsBegin() const
impl::ResidueImplPtr r=Impl();
int index=this->GetIndex();
impl::ChainImplPtr c=r->GetChain();
- impl::ChainImplList::iterator cc=r->GetEntity()->GetChain(c->GetName());
- return AtomHandleIter(cc, c->GetResidueList().begin()+index,
- r->GetAtomList().begin(), r->GetEntity(), true);
+ impl::pointer_it<impl::ChainImplPtr> cc=r->GetEntity()->GetChainIter(c->GetName());
+ return AtomHandleIter(cc, impl::begin(c->GetResidueList())+index,
+ impl::begin(r->GetAtomList()), r->GetEntity(), true);
}
AtomHandleIter ResidueHandle::AtomsEnd() const
@@ -192,14 +192,15 @@ AtomHandleIter ResidueHandle::AtomsEnd() const
impl::ResidueImplPtr r=Impl();
int index=this->GetIndex();
impl::ChainImplPtr c=r->GetChain();
- impl::ChainImplList::iterator cc=r->GetEntity()->GetChain(c->GetName());
+ impl::pointer_it<impl::ChainImplPtr> cc=r->GetEntity()->GetChainIter(c->GetName());
if (c->GetResidueList().begin()+index+1==c->GetResidueList().end()) {
- return AtomHandleIter(cc, c->GetResidueList().begin()+index,
- r->GetAtomList().end(), r->GetEntity(), false);
+ return AtomHandleIter(cc, impl::begin(c->GetResidueList())+index,
+ impl::begin(r->GetAtomList()), r->GetEntity(), false);
} else {
- impl::ResidueImplList::iterator x=(c->GetResidueList().begin()+index+1);
- return AtomHandleIter(cc, c->GetResidueList().begin()+index+1,
- (*x)->GetAtomList().begin(), r->GetEntity(), false);
+ impl::pointer_it<impl::ResidueImplPtr> x=(impl::begin(c->GetResidueList())+index+1);
+ return AtomHandleIter(cc, impl::begin(c->GetResidueList())+index+1,
+ impl::begin((*x)->GetAtomList()),
+ r->GetEntity(), false);
}
}